(3R,4S)-4-methyloxolan-3-amine;hydrochloride

C5H12ClNO — CID 131632274

IUPAC(3R,4S)-4-methyloxolan-3-amine;hydrochloride
SMILESC[C@@H]1COC[C@@H]1N.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4-2-7-3-5(4)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyBIBJGYHUXSWZFW-JBUOLDKXSA-N
MW137.61 g/mol
LogP0.40
Rot. Bonds

About (3R,4S)-4-methyloxolan-3-amine;hydrochloride

(3R,4S)-4-methyloxolan-3-amine;hydrochloride (PubChem CID 131632274) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (3R,4S)-4-methyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-methyloxolan-3-amine;hydrochloride
PubChem CID131632274
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(3R,4S)-4-methyloxolan-3-amine;hydrochloride
SMILESC[C@@H]1COC[C@@H]1N.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4-2-7-3-5(4)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyBIBJGYHUXSWZFW-JBUOLDKXSA-N
XLogP0.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxolan-3-amine
CID 3365553
1-Methoxy-3-methylbutan-2-amine
CID 12839819
(3S)-oxolan-3-amine hydrochloride
CID 18664284
(R)-3-Aminotetrahydrofuran
CID 10996958
3-Aminotetrahydrofuran hydrochloride
CID 22239904
1-Ethoxy-3-methylbutan-2-amine
CID 45074954
(3R)-3-Aminotetrahydrofuran hydrochloride
CID 46856371
4-Methyloxolan-3-amine
CID 59657855
4,4-Dimethyloxolan-3-amine hydrochloride
CID 67002020
4-Ethyloxolan-3-amine
CID 83478548
(S)-3-Aminotetrahydrofuran
CID 14243168
4-(Trifluoromethyl)oxolan-3-amine hydrochloride
CID 163321398

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyloxolan-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-4-methyloxolan-3-amine;hydrochloride (CID 131632274) is (3R,4S)-4-methyloxolan-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-4-methyloxolan-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-4-methyloxolan-3-amine;hydrochloride is C[C@@H]1COC[C@@H]1N.Cl.
What is the InChIKey of (3R,4S)-4-methyloxolan-3-amine;hydrochloride?
The InChIKey is BIBJGYHUXSWZFW-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-4-2-7-3-5(4)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5+;/m1./s1.
What are the key properties of (3R,4S)-4-methyloxolan-3-amine;hydrochloride?
(3R,4S)-4-methyloxolan-3-amine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyloxolan-3-amine;hydrochloride is sourced from PubChem (CID 131632274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).